ATOM 10 N VAL A 2 -0.155 3.723 7.233 1.00 0.00 N ATOM 11 CA VAL A 2 0.792 4.653 6.530 1.00 0.00 C ATOM 12 C VAL A 2 0.489 4.594 5.020 1.00 0.00 C ATOM 13 O VAL A 2 0.160 3.535 4.515 1.00 0.00 O ATOM 14 CB VAL A 2 2.265 4.206 6.742 1.00 0.00 C ATOM 15 CG1 VAL A 2 3.261 5.290 6.261 1.00 0.00 C ATOM 16 CG2 VAL A 2 2.556 3.850 8.210 1.00 0.00 C ATOM 17 H VAL A 2 -0.454 2.933 6.735 1.00 0.00 H ATOM 18 HA VAL A 2 0.632 5.661 6.893 1.00 0.00 H ATOM 19 HB VAL A 2 2.427 3.326 6.133 1.00 0.00 H ATOM 20 HG11 VAL A 2 3.136 5.488 5.205 1.00 0.00 H ATOM 21 HG12 VAL A 2 3.132 6.212 6.810 1.00 0.00 H ATOM 22 HG13 VAL A 2 4.275 4.944 6.410 1.00 0.00 H ATOM 23 HG21 VAL A 2 2.346 4.692 8.854 1.00 0.00 H ATOM 24 HG22 VAL A 2 1.964 3.007 8.530 1.00 0.00 H ATOM 25 HG23 VAL A 2 3.597 3.584 8.320 1.00 0.00 H ATOM 26 N SER A 3 0.605 5.711 4.351 1.00 0.00 N ATOM 27 CA SER A 3 0.340 5.758 2.879 1.00 0.00 C ATOM 28 C SER A 3 1.631 5.320 2.170 1.00 0.00 C ATOM 29 O SER A 3 2.646 5.162 2.825 1.00 0.00 O ATOM 30 CB SER A 3 0.000 7.182 2.440 1.00 0.00 C ATOM 31 OG SER A 3 -1.046 7.545 3.326 1.00 0.00 O ATOM 32 H SER A 3 0.867 6.530 4.808 1.00 0.00 H ATOM 33 HA SER A 3 -0.479 5.104 2.641 1.00 0.00 H ATOM 34 HB2 SER A 3 0.834 7.861 2.539 1.00 0.00 H ATOM 35 HB3 SER A 3 -0.364 7.196 1.421 1.00 0.00 H ATOM 36 HG SER A 3 -0.833 8.386 3.739 1.00 0.00 H ATOM 37 N CYS A 4 1.558 5.140 0.876 1.00 0.00 N ATOM 38 CA CYS A 4 2.756 4.722 0.081 1.00 0.00 C ATOM 39 C CYS A 4 2.507 5.188 -1.360 1.00 0.00 C ATOM 40 O CYS A 4 1.393 5.529 -1.713 1.00 0.00 O ATOM 41 CB CYS A 4 2.933 3.188 0.081 1.00 0.00 C ATOM 42 SG CYS A 4 4.524 2.610 -0.566 1.00 0.00 S ATOM 43 H CYS A 4 0.702 5.287 0.406 1.00 0.00 H ATOM 44 HA CYS A 4 3.637 5.213 0.469 1.00 0.00 H ATOM 45 HB2 CYS A 4 2.828 2.821 1.092 1.00 0.00 H ATOM 46 HB3 CYS A 4 2.152 2.745 -0.523 1.00 0.00 H ATOM 47 N LEU A 5 3.528 5.203 -2.168 1.00 0.00 N ATOM 48 CA LEU A 5 3.413 5.635 -3.589 1.00 0.00 C ATOM 49 C LEU A 5 3.478 4.351 -4.408 1.00 0.00 C ATOM 50 O LEU A 5 4.419 3.606 -4.189 1.00 0.00 O ATOM 51 CB LEU A 5 4.622 6.581 -3.908 1.00 0.00 C ATOM 52 CG LEU A 5 4.967 6.522 -5.415 1.00 0.00 C ATOM 53 CD1 LEU A 5 3.925 7.271 -6.247 1.00 0.00 C ATOM 54 CD2 LEU A 5 6.346 7.098 -5.698 1.00 0.00 C ATOM 55 H LEU A 5 4.417 4.922 -1.877 1.00 0.00 H ATOM 56 HA LEU A 5 2.466 6.119 -3.762 1.00 0.00 H ATOM 57 HB2 LEU A 5 4.373 7.597 -3.637 1.00 0.00 H ATOM 58 HB3 LEU A 5 5.481 6.270 -3.332 1.00 0.00 H ATOM 59 HG LEU A 5 5.014 5.484 -5.695 1.00 0.00 H ATOM 60 HD11 LEU A 5 2.940 6.907 -6.016 1.00 0.00 H ATOM 61 HD12 LEU A 5 3.939 8.323 -6.030 1.00 0.00 H ATOM 62 HD13 LEU A 5 4.112 7.145 -7.305 1.00 0.00 H ATOM 63 HD21 LEU A 5 6.411 8.128 -5.397 1.00 0.00 H ATOM 64 HD22 LEU A 5 7.106 6.534 -5.179 1.00 0.00 H ATOM 65 HD23 LEU A 5 6.532 7.033 -6.761 1.00 0.00 H ATOM 66 N CYS A 6 2.570 4.092 -5.322 1.00 0.00 N ATOM 67 CA CYS A 6 2.734 2.802 -6.073 1.00 0.00 C ATOM 68 C CYS A 6 3.647 3.088 -7.264 1.00 0.00 C ATOM 69 O CYS A 6 3.795 4.204 -7.716 1.00 0.00 O ATOM 70 CB CYS A 6 1.407 2.279 -6.622 1.00 0.00 C ATOM 71 SG CYS A 6 0.099 1.797 -5.470 1.00 0.00 S ATOM 72 H CYS A 6 1.812 4.705 -5.508 1.00 0.00 H ATOM 73 HA CYS A 6 3.184 2.056 -5.437 1.00 0.00 H ATOM 74 HB2 CYS A 6 0.991 2.999 -7.313 1.00 0.00 H ATOM 75 HB3 CYS A 6 1.645 1.400 -7.198 1.00 0.00 H ATOM 76 N ASP A 7 4.251 2.051 -7.768 1.00 0.00 N ATOM 77 CA ASP A 7 5.195 2.182 -8.935 1.00 0.00 C ATOM 78 C ASP A 7 4.557 2.645 -10.239 1.00 0.00 C ATOM 79 O ASP A 7 5.216 2.908 -11.225 1.00 0.00 O ATOM 80 CB ASP A 7 5.867 0.822 -9.109 1.00 0.00 C ATOM 81 CG ASP A 7 6.783 0.545 -7.915 1.00 0.00 C ATOM 82 OD1 ASP A 7 7.529 1.442 -7.543 1.00 0.00 O ATOM 83 OD2 ASP A 7 6.678 -0.556 -7.412 1.00 0.00 O ATOM 84 H ASP A 7 4.080 1.157 -7.397 1.00 0.00 H ATOM 85 HA ASP A 7 5.949 2.918 -8.692 1.00 0.00 H ATOM 86 HB2 ASP A 7 5.134 0.032 -9.196 1.00 0.00 H ATOM 87 HB3 ASP A 7 6.455 0.840 -10.010 1.00 0.00 H ATOM 237 N SER A 19 -0.828 7.804 -2.958 1.00 0.00 N ATOM 238 CA SER A 19 -2.219 7.370 -2.644 1.00 0.00 C ATOM 239 C SER A 19 -2.319 5.904 -2.215 1.00 0.00 C ATOM 240 O SER A 19 -3.405 5.415 -1.977 1.00 0.00 O ATOM 241 CB SER A 19 -3.083 7.641 -3.897 1.00 0.00 C ATOM 242 OG SER A 19 -2.275 7.249 -5.010 1.00 0.00 O ATOM 243 H SER A 19 -0.507 7.756 -3.880 1.00 0.00 H ATOM 244 HA SER A 19 -2.589 7.974 -1.825 1.00 0.00 H ATOM 245 HB2 SER A 19 -3.995 7.056 -3.867 1.00 0.00 H ATOM 246 HB3 SER A 19 -3.329 8.691 -3.973 1.00 0.00 H ATOM 247 HG SER A 19 -2.263 7.989 -5.639 1.00 0.00 H ATOM 248 N GLY A 20 -1.204 5.234 -2.132 1.00 0.00 N ATOM 249 CA GLY A 20 -1.186 3.820 -1.725 1.00 0.00 C ATOM 250 C GLY A 20 -1.132 3.779 -0.207 1.00 0.00 C ATOM 251 O GLY A 20 -1.152 4.795 0.464 1.00 0.00 O ATOM 252 H GLY A 20 -0.342 5.622 -2.325 1.00 0.00 H ATOM 253 HA2 GLY A 20 -2.080 3.365 -2.081 1.00 0.00 H ATOM 254 HA3 GLY A 20 -0.314 3.330 -2.134 1.00 0.00 H ATOM 255 N THR A 21 -1.052 2.603 0.325 1.00 0.00 N ATOM 256 CA THR A 21 -0.993 2.413 1.773 1.00 0.00 C ATOM 257 C THR A 21 -0.172 1.167 1.948 1.00 0.00 C ATOM 258 O THR A 21 -0.211 0.227 1.178 1.00 0.00 O ATOM 259 CB THR A 21 -2.362 2.174 2.369 1.00 0.00 C ATOM 260 OG1 THR A 21 -3.190 3.257 1.963 1.00 0.00 O ATOM 261 CG2 THR A 21 -2.395 2.290 3.892 1.00 0.00 C ATOM 262 H THR A 21 -1.011 1.797 -0.213 1.00 0.00 H ATOM 263 HA THR A 21 -0.469 3.236 2.198 1.00 0.00 H ATOM 264 HB THR A 21 -2.727 1.222 2.040 1.00 0.00 H ATOM 265 HG1 THR A 21 -2.691 3.894 1.429 1.00 0.00 H ATOM 266 HG21 THR A 21 -1.715 1.581 4.346 1.00 0.00 H ATOM 267 HG22 THR A 21 -2.124 3.286 4.204 1.00 0.00 H ATOM 268 HG23 THR A 21 -3.392 2.081 4.245 1.00 0.00 H ATOM 269 N LEU A 22 0.551 1.250 3.003 1.00 0.00 N ATOM 270 CA LEU A 22 1.460 0.171 3.426 1.00 0.00 C ATOM 271 C LEU A 22 0.798 -0.640 4.520 1.00 0.00 C ATOM 272 O LEU A 22 0.233 -0.129 5.470 1.00 0.00 O ATOM 273 CB LEU A 22 2.778 0.839 3.869 1.00 0.00 C ATOM 274 CG LEU A 22 3.715 -0.067 4.726 1.00 0.00 C ATOM 275 CD1 LEU A 22 5.123 -0.100 4.088 1.00 0.00 C ATOM 276 CD2 LEU A 22 3.840 0.564 6.121 1.00 0.00 C ATOM 277 H LEU A 22 0.451 2.072 3.510 1.00 0.00 H ATOM 278 HA LEU A 22 1.619 -0.456 2.567 1.00 0.00 H ATOM 279 HB2 LEU A 22 3.274 1.008 2.930 1.00 0.00 H ATOM 280 HB3 LEU A 22 2.587 1.788 4.345 1.00 0.00 H ATOM 281 HG LEU A 22 3.339 -1.076 4.807 1.00 0.00 H ATOM 282 HD11 LEU A 22 5.061 -0.490 3.083 1.00 0.00 H ATOM 283 HD12 LEU A 22 5.541 0.896 4.045 1.00 0.00 H ATOM 284 HD13 LEU A 22 5.789 -0.731 4.659 1.00 0.00 H ATOM 285 HD21 LEU A 22 2.863 0.629 6.578 1.00 0.00 H ATOM 286 HD22 LEU A 22 4.484 -0.038 6.747 1.00 0.00 H ATOM 287 HD23 LEU A 22 4.258 1.559 6.059 1.00 0.00 H ATOM 288 N TRP A 23 0.920 -1.913 4.309 1.00 0.00 N ATOM 289 CA TRP A 23 0.353 -2.926 5.225 1.00 0.00 C ATOM 290 C TRP A 23 1.509 -3.598 5.934 1.00 0.00 C ATOM 291 O TRP A 23 2.449 -4.068 5.330 1.00 0.00 O ATOM 292 CB TRP A 23 -0.488 -3.916 4.378 1.00 0.00 C ATOM 293 CG TRP A 23 -1.800 -3.184 4.080 1.00 0.00 C ATOM 294 CD1 TRP A 23 -2.112 -2.460 2.965 1.00 0.00 C ATOM 295 CD2 TRP A 23 -2.832 -3.134 4.942 1.00 0.00 C ATOM 296 NE1 TRP A 23 -3.323 -2.010 3.230 1.00 0.00 N ATOM 297 CE2 TRP A 23 -3.846 -2.356 4.392 1.00 0.00 C ATOM 298 CE3 TRP A 23 -2.991 -3.709 6.208 1.00 0.00 C ATOM 299 CZ2 TRP A 23 -5.023 -2.131 5.094 1.00 0.00 C ATOM 300 CZ3 TRP A 23 -4.178 -3.472 6.904 1.00 0.00 C ATOM 301 CH2 TRP A 23 -5.188 -2.689 6.354 1.00 0.00 C ATOM 302 H TRP A 23 1.428 -2.189 3.516 1.00 0.00 H ATOM 303 HA TRP A 23 -0.275 -2.427 5.951 1.00 0.00 H ATOM 304 HB2 TRP A 23 0.005 -4.145 3.446 1.00 0.00 H ATOM 305 HB3 TRP A 23 -0.694 -4.830 4.920 1.00 0.00 H ATOM 306 HD1 TRP A 23 -1.528 -2.288 2.077 1.00 0.00 H ATOM 307 HE1 TRP A 23 -3.822 -1.442 2.595 1.00 0.00 H ATOM 308 HE3 TRP A 23 -2.220 -4.354 6.636 1.00 0.00 H ATOM 309 HZ2 TRP A 23 -5.804 -1.525 4.660 1.00 0.00 H ATOM 310 HZ3 TRP A 23 -4.317 -3.884 7.886 1.00 0.00 H ATOM 311 HH2 TRP A 23 -6.100 -2.515 6.908 1.00 0.00 H ATOM 312 N LEU A 24 1.383 -3.641 7.224 1.00 0.00 N ATOM 313 CA LEU A 24 2.428 -4.258 8.102 1.00 0.00 C ATOM 314 C LEU A 24 2.140 -5.743 8.241 1.00 0.00 C ATOM 315 O LEU A 24 2.909 -6.500 8.799 1.00 0.00 O ATOM 316 CB LEU A 24 2.376 -3.604 9.487 1.00 0.00 C ATOM 317 CG LEU A 24 2.024 -2.115 9.363 1.00 0.00 C ATOM 318 CD1 LEU A 24 1.938 -1.497 10.769 1.00 0.00 C ATOM 319 CD2 LEU A 24 3.095 -1.378 8.533 1.00 0.00 C ATOM 320 H LEU A 24 0.587 -3.248 7.617 1.00 0.00 H ATOM 321 HA LEU A 24 3.389 -4.125 7.641 1.00 0.00 H ATOM 322 HB2 LEU A 24 1.658 -4.110 10.117 1.00 0.00 H ATOM 323 HB3 LEU A 24 3.350 -3.705 9.937 1.00 0.00 H ATOM 324 HG LEU A 24 1.063 -2.062 8.873 1.00 0.00 H ATOM 325 HD11 LEU A 24 2.878 -1.604 11.291 1.00 0.00 H ATOM 326 HD12 LEU A 24 1.700 -0.446 10.705 1.00 0.00 H ATOM 327 HD13 LEU A 24 1.167 -1.988 11.348 1.00 0.00 H ATOM 328 HD21 LEU A 24 4.069 -1.456 8.996 1.00 0.00 H ATOM 329 HD22 LEU A 24 3.155 -1.786 7.534 1.00 0.00 H ATOM 330 HD23 LEU A 24 2.834 -0.335 8.457 1.00 0.00 H ATOM 331 N TYR A 25 0.998 -6.068 7.709 1.00 0.00 N ATOM 332 CA TYR A 25 0.515 -7.474 7.718 1.00 0.00 C ATOM 333 C TYR A 25 1.587 -8.310 7.003 1.00 0.00 C ATOM 334 O TYR A 25 2.255 -7.814 6.116 1.00 0.00 O ATOM 335 CB TYR A 25 -0.813 -7.531 6.964 1.00 0.00 C ATOM 336 CG TYR A 25 -1.988 -6.923 7.743 1.00 0.00 C ATOM 337 CD1 TYR A 25 -1.875 -6.299 8.978 1.00 0.00 C ATOM 338 CD2 TYR A 25 -3.233 -7.029 7.168 1.00 0.00 C ATOM 339 CE1 TYR A 25 -2.996 -5.798 9.609 1.00 0.00 C ATOM 340 CE2 TYR A 25 -4.350 -6.531 7.797 1.00 0.00 C ATOM 341 CZ TYR A 25 -4.237 -5.910 9.023 1.00 0.00 C ATOM 342 OH TYR A 25 -5.350 -5.393 9.650 1.00 0.00 O ATOM 343 H TYR A 25 0.474 -5.349 7.302 1.00 0.00 H ATOM 344 HA TYR A 25 0.432 -7.810 8.742 1.00 0.00 H ATOM 345 HB2 TYR A 25 -0.679 -7.049 6.007 1.00 0.00 H ATOM 346 HB3 TYR A 25 -1.108 -8.525 6.727 1.00 0.00 H ATOM 347 HD1 TYR A 25 -0.914 -6.199 9.461 1.00 0.00 H ATOM 348 HD2 TYR A 25 -3.329 -7.513 6.209 1.00 0.00 H ATOM 349 HE1 TYR A 25 -2.909 -5.317 10.573 1.00 0.00 H ATOM 350 HE2 TYR A 25 -5.313 -6.629 7.319 1.00 0.00 H ATOM 351 HH TYR A 25 -6.105 -5.620 9.102 1.00 0.00 H ATOM 352 N PRO A 26 1.733 -9.555 7.377 1.00 0.00 N ATOM 353 CA PRO A 26 2.957 -10.328 7.030 1.00 0.00 C ATOM 354 C PRO A 26 3.157 -10.530 5.534 1.00 0.00 C ATOM 355 O PRO A 26 4.227 -10.876 5.071 1.00 0.00 O ATOM 356 CB PRO A 26 2.784 -11.635 7.815 1.00 0.00 C ATOM 357 CG PRO A 26 1.237 -11.796 7.889 1.00 0.00 C ATOM 358 CD PRO A 26 0.751 -10.359 8.162 1.00 0.00 C ATOM 359 HA PRO A 26 3.795 -9.764 7.377 1.00 0.00 H ATOM 360 HB2 PRO A 26 3.234 -12.465 7.289 1.00 0.00 H ATOM 361 HB3 PRO A 26 3.220 -11.553 8.800 1.00 0.00 H ATOM 362 HG2 PRO A 26 0.834 -12.169 6.959 1.00 0.00 H ATOM 363 HG3 PRO A 26 0.954 -12.458 8.695 1.00 0.00 H ATOM 364 HD2 PRO A 26 -0.253 -10.200 7.794 1.00 0.00 H ATOM 365 HD3 PRO A 26 0.820 -10.103 9.211 1.00 0.00 H ATOM 366 N SER A 27 2.102 -10.278 4.832 1.00 0.00 N ATOM 367 CA SER A 27 2.093 -10.426 3.344 1.00 0.00 C ATOM 368 C SER A 27 1.721 -9.128 2.640 1.00 0.00 C ATOM 369 O SER A 27 1.524 -9.070 1.438 1.00 0.00 O ATOM 370 CB SER A 27 1.104 -11.530 3.001 1.00 0.00 C ATOM 371 OG SER A 27 -0.008 -11.271 3.859 1.00 0.00 O ATOM 372 H SER A 27 1.302 -9.973 5.311 1.00 0.00 H ATOM 373 HA SER A 27 3.074 -10.716 3.005 1.00 0.00 H ATOM 374 HB2 SER A 27 0.822 -11.456 1.961 1.00 0.00 H ATOM 375 HB3 SER A 27 1.515 -12.509 3.204 1.00 0.00 H ATOM 376 HG SER A 27 -0.284 -12.109 4.241 1.00 0.00 H ATOM 377 N GLY A 28 1.638 -8.100 3.429 1.00 0.00 N ATOM 378 CA GLY A 28 1.292 -6.784 2.887 1.00 0.00 C ATOM 379 C GLY A 28 -0.160 -6.603 2.610 1.00 0.00 C ATOM 380 O GLY A 28 -0.995 -6.677 3.488 1.00 0.00 O ATOM 381 H GLY A 28 1.805 -8.190 4.385 1.00 0.00 H ATOM 382 HA2 GLY A 28 1.587 -6.023 3.582 1.00 0.00 H ATOM 383 HA3 GLY A 28 1.833 -6.675 1.961 1.00 0.00 H ATOM 384 N CYS A 29 -0.385 -6.359 1.359 1.00 0.00 N ATOM 385 CA CYS A 29 -1.747 -6.139 0.865 1.00 0.00 C ATOM 386 C CYS A 29 -2.756 -7.183 1.375 1.00 0.00 C ATOM 387 O CYS A 29 -2.645 -8.359 1.077 1.00 0.00 O ATOM 388 CB CYS A 29 -1.781 -6.160 -0.647 1.00 0.00 C ATOM 389 SG CYS A 29 -2.970 -4.949 -1.264 1.00 0.00 S ATOM 390 H CYS A 29 0.371 -6.321 0.757 1.00 0.00 H ATOM 391 HA CYS A 29 -1.982 -5.152 1.187 1.00 0.00 H ATOM 392 HB2 CYS A 29 -0.811 -5.937 -1.063 1.00 0.00 H ATOM 393 HB3 CYS A 29 -2.081 -7.136 -1.004 1.00 0.00 H ATOM 394 N PRO A 30 -3.712 -6.729 2.145 1.00 0.00 N ATOM 395 CA PRO A 30 -4.779 -7.595 2.654 1.00 0.00 C ATOM 396 C PRO A 30 -5.850 -7.941 1.621 1.00 0.00 C ATOM 397 O PRO A 30 -5.923 -7.483 0.494 1.00 0.00 O ATOM 398 CB PRO A 30 -5.312 -6.822 3.866 1.00 0.00 C ATOM 399 CG PRO A 30 -5.137 -5.349 3.441 1.00 0.00 C ATOM 400 CD PRO A 30 -3.852 -5.333 2.623 1.00 0.00 C ATOM 401 HA PRO A 30 -4.318 -8.518 2.979 1.00 0.00 H ATOM 402 HB2 PRO A 30 -6.350 -7.047 4.059 1.00 0.00 H ATOM 403 HB3 PRO A 30 -4.725 -7.038 4.744 1.00 0.00 H ATOM 404 HG2 PRO A 30 -5.941 -4.990 2.830 1.00 0.00 H ATOM 405 HG3 PRO A 30 -5.039 -4.713 4.309 1.00 0.00 H ATOM 406 HD2 PRO A 30 -3.948 -4.667 1.777 1.00 0.00 H ATOM 407 HD3 PRO A 30 -2.997 -5.100 3.229 1.00 0.00 H ATOM 408 N SER A 31 -6.688 -8.784 2.112 1.00 0.00 N ATOM 409 CA SER A 31 -7.818 -9.289 1.337 1.00 0.00 C ATOM 410 C SER A 31 -8.877 -8.224 1.440 1.00 0.00 C ATOM 411 O SER A 31 -9.502 -8.036 2.465 1.00 0.00 O ATOM 412 CB SER A 31 -8.269 -10.616 1.948 1.00 0.00 C ATOM 413 OG SER A 31 -7.045 -11.342 2.010 1.00 0.00 O ATOM 414 H SER A 31 -6.563 -9.082 3.010 1.00 0.00 H ATOM 415 HA SER A 31 -7.456 -9.324 0.332 1.00 0.00 H ATOM 416 HB2 SER A 31 -8.689 -10.488 2.937 1.00 0.00 H ATOM 417 HB3 SER A 31 -8.968 -11.133 1.308 1.00 0.00 H ATOM 418 HG SER A 31 -6.835 -11.555 2.923 1.00 0.00 H ATOM 419 N GLY A 32 -9.011 -7.575 0.328 1.00 0.00 N ATOM 420 CA GLY A 32 -9.972 -6.471 0.155 1.00 0.00 C ATOM 421 C GLY A 32 -9.153 -5.323 -0.421 1.00 0.00 C ATOM 422 O GLY A 32 -9.677 -4.240 -0.588 1.00 0.00 O ATOM 423 H GLY A 32 -8.457 -7.823 -0.434 1.00 0.00 H ATOM 424 HA2 GLY A 32 -10.751 -6.751 -0.539 1.00 0.00 H ATOM 425 HA3 GLY A 32 -10.380 -6.187 1.109 1.00 0.00 H ATOM 426 N TRP A 33 -7.889 -5.588 -0.691 1.00 0.00 N ATOM 427 CA TRP A 33 -7.004 -4.562 -1.256 1.00 0.00 C ATOM 428 C TRP A 33 -6.554 -5.146 -2.591 1.00 0.00 C ATOM 429 O TRP A 33 -7.206 -6.042 -3.101 1.00 0.00 O ATOM 430 CB TRP A 33 -5.858 -4.336 -0.223 1.00 0.00 C ATOM 431 CG TRP A 33 -6.385 -3.360 0.835 1.00 0.00 C ATOM 432 CD1 TRP A 33 -7.453 -3.543 1.660 1.00 0.00 C ATOM 433 CD2 TRP A 33 -5.867 -2.144 1.056 1.00 0.00 C ATOM 434 NE1 TRP A 33 -7.511 -2.402 2.326 1.00 0.00 N ATOM 435 CE2 TRP A 33 -6.595 -1.484 2.037 1.00 0.00 C ATOM 436 CE3 TRP A 33 -4.775 -1.533 0.447 1.00 0.00 C ATOM 437 CZ2 TRP A 33 -6.219 -0.190 2.401 1.00 0.00 C ATOM 438 CZ3 TRP A 33 -4.409 -0.257 0.808 1.00 0.00 C ATOM 439 CH2 TRP A 33 -5.125 0.419 1.780 1.00 0.00 C ATOM 440 H TRP A 33 -7.433 -6.451 -0.557 1.00 0.00 H ATOM 441 HA TRP A 33 -7.590 -3.681 -1.458 1.00 0.00 H ATOM 442 HB2 TRP A 33 -5.558 -5.254 0.254 1.00 0.00 H ATOM 443 HB3 TRP A 33 -4.997 -3.901 -0.694 1.00 0.00 H ATOM 444 HD1 TRP A 33 -8.083 -4.418 1.747 1.00 0.00 H ATOM 445 HE1 TRP A 33 -8.210 -2.245 2.998 1.00 0.00 H ATOM 446 HE3 TRP A 33 -4.199 -2.045 -0.310 1.00 0.00 H ATOM 447 HZ2 TRP A 33 -6.774 0.345 3.158 1.00 0.00 H ATOM 448 HZ3 TRP A 33 -3.564 0.207 0.324 1.00 0.00 H ATOM 449 HH2 TRP A 33 -4.824 1.422 2.036 1.00 0.00 H ATOM 450 N HIS A 34 -5.470 -4.663 -3.126 1.00 0.00 N ATOM 451 CA HIS A 34 -4.990 -5.179 -4.418 1.00 0.00 C ATOM 452 C HIS A 34 -3.487 -5.447 -4.397 1.00 0.00 C ATOM 453 O HIS A 34 -3.038 -6.284 -3.642 1.00 0.00 O ATOM 454 CB HIS A 34 -5.422 -4.129 -5.490 1.00 0.00 C ATOM 455 CG HIS A 34 -5.242 -4.746 -6.875 1.00 0.00 C ATOM 456 ND1 HIS A 34 -4.694 -4.192 -7.908 1.00 0.00 N ATOM 457 CD2 HIS A 34 -5.618 -5.999 -7.311 1.00 0.00 C ATOM 458 CE1 HIS A 34 -4.719 -5.022 -8.904 1.00 0.00 C ATOM 459 NE2 HIS A 34 -5.286 -6.157 -8.576 1.00 0.00 N ATOM 460 H HIS A 34 -4.960 -3.972 -2.682 1.00 0.00 H ATOM 461 HA HIS A 34 -5.473 -6.103 -4.559 1.00 0.00 H ATOM 462 HB2 HIS A 34 -6.470 -3.896 -5.353 1.00 0.00 H ATOM 463 HB3 HIS A 34 -4.865 -3.207 -5.407 1.00 0.00 H ATOM 464 HD1 HIS A 34 -4.320 -3.286 -7.942 1.00 0.00 H ATOM 465 HD2 HIS A 34 -6.115 -6.733 -6.691 1.00 0.00 H ATOM 466 HE1 HIS A 34 -4.323 -4.808 -9.888 1.00 0.00 H ATOM 467 N ASN A 35 -2.742 -4.764 -5.222 1.00 0.00 N ATOM 468 CA ASN A 35 -1.258 -4.962 -5.257 1.00 0.00 C ATOM 469 C ASN A 35 -0.586 -3.986 -6.216 1.00 0.00 C ATOM 470 O ASN A 35 -1.007 -3.860 -7.349 1.00 0.00 O ATOM 471 CB ASN A 35 -0.942 -6.422 -5.699 1.00 0.00 C ATOM 472 CG ASN A 35 -1.520 -6.734 -7.090 1.00 0.00 C ATOM 473 OD1 ASN A 35 -0.797 -6.905 -8.048 1.00 0.00 O ATOM 474 ND2 ASN A 35 -2.805 -6.822 -7.261 1.00 0.00 N ATOM 475 H ASN A 35 -3.181 -4.127 -5.816 1.00 0.00 H ATOM 476 HA ASN A 35 -0.903 -4.715 -4.263 1.00 0.00 H ATOM 477 HB2 ASN A 35 0.126 -6.556 -5.750 1.00 0.00 H ATOM 478 HB3 ASN A 35 -1.345 -7.129 -4.989 1.00 0.00 H ATOM 479 HD21 ASN A 35 -3.422 -6.699 -6.513 1.00 0.00 H ATOM 480 HD22 ASN A 35 -3.154 -7.013 -8.156 1.00 0.00 H ATOM 481 N CYS A 36 0.436 -3.298 -5.747 1.00 0.00 N ATOM 482 CA CYS A 36 1.127 -2.322 -6.662 1.00 0.00 C ATOM 483 C CYS A 36 2.625 -2.077 -6.388 1.00 0.00 C ATOM 484 O CYS A 36 3.189 -1.158 -6.957 1.00 0.00 O ATOM 485 CB CYS A 36 0.370 -1.003 -6.561 1.00 0.00 C ATOM 486 SG CYS A 36 0.578 -0.107 -5.003 1.00 0.00 S ATOM 487 H CYS A 36 0.735 -3.419 -4.815 1.00 0.00 H ATOM 488 HA CYS A 36 1.052 -2.690 -7.677 1.00 0.00 H ATOM 489 HB2 CYS A 36 0.695 -0.369 -7.372 1.00 0.00 H ATOM 490 HB3 CYS A 36 -0.684 -1.195 -6.704 1.00 0.00 H ATOM 491 N LYS A 37 3.247 -2.858 -5.542 1.00 0.00 N ATOM 492 CA LYS A 37 4.696 -2.666 -5.227 1.00 0.00 C ATOM 493 C LYS A 37 5.386 -4.048 -5.226 1.00 0.00 C ATOM 494 O LYS A 37 5.442 -4.733 -4.223 1.00 0.00 O ATOM 495 CB LYS A 37 4.770 -1.964 -3.836 1.00 0.00 C ATOM 496 CG LYS A 37 3.949 -0.634 -3.832 1.00 0.00 C ATOM 497 CD LYS A 37 4.866 0.618 -3.819 1.00 0.00 C ATOM 498 CE LYS A 37 5.635 0.676 -5.155 1.00 0.00 C ATOM 499 NZ LYS A 37 6.132 2.044 -5.522 1.00 0.00 N ATOM 500 H LYS A 37 2.783 -3.586 -5.098 1.00 0.00 H ATOM 501 HA LYS A 37 5.130 -2.060 -5.999 1.00 0.00 H ATOM 502 HB2 LYS A 37 4.360 -2.661 -3.122 1.00 0.00 H ATOM 503 HB3 LYS A 37 5.778 -1.751 -3.518 1.00 0.00 H ATOM 504 HG2 LYS A 37 3.322 -0.558 -4.703 1.00 0.00 H ATOM 505 HG3 LYS A 37 3.263 -0.633 -3.008 1.00 0.00 H ATOM 506 HD2 LYS A 37 4.239 1.478 -3.665 1.00 0.00 H ATOM 507 HD3 LYS A 37 5.569 0.563 -2.997 1.00 0.00 H ATOM 508 HE2 LYS A 37 6.489 0.014 -5.084 1.00 0.00 H ATOM 509 HE3 LYS A 37 5.003 0.306 -5.947 1.00 0.00 H ATOM 510 HZ1 LYS A 37 5.852 2.773 -4.828 1.00 0.00 H ATOM 511 HZ2 LYS A 37 7.163 2.021 -5.717 1.00 0.00 H ATOM 512 HZ3 LYS A 37 5.769 2.287 -6.466 1.00 0.00 H ATOM 513 N ALA A 38 5.906 -4.412 -6.367 1.00 0.00 N ATOM 514 CA ALA A 38 6.610 -5.727 -6.561 1.00 0.00 C ATOM 515 C ALA A 38 8.004 -5.779 -5.906 1.00 0.00 C ATOM 516 O ALA A 38 8.926 -6.360 -6.447 1.00 0.00 O ATOM 517 CB ALA A 38 6.732 -5.971 -8.075 1.00 0.00 C ATOM 518 H ALA A 38 5.840 -3.793 -7.119 1.00 0.00 H ATOM 519 HA ALA A 38 6.008 -6.510 -6.121 1.00 0.00 H ATOM 520 HB1 ALA A 38 5.762 -6.004 -8.548 1.00 0.00 H ATOM 521 HB2 ALA A 38 7.322 -5.186 -8.528 1.00 0.00 H ATOM 522 HB3 ALA A 38 7.237 -6.911 -8.249 1.00 0.00 H ATOM 523 N HIS A 39 8.112 -5.179 -4.754 1.00 0.00 N ATOM 524 CA HIS A 39 9.416 -5.156 -4.025 1.00 0.00 C ATOM 525 C HIS A 39 9.302 -5.325 -2.499 1.00 0.00 C ATOM 526 O HIS A 39 10.237 -5.785 -1.876 1.00 0.00 O ATOM 527 CB HIS A 39 10.100 -3.821 -4.354 1.00 0.00 C ATOM 528 CG HIS A 39 10.313 -3.686 -5.872 1.00 0.00 C ATOM 529 ND1 HIS A 39 10.969 -4.520 -6.610 1.00 0.00 N ATOM 530 CD2 HIS A 39 9.885 -2.715 -6.764 1.00 0.00 C ATOM 531 CE1 HIS A 39 10.962 -4.120 -7.843 1.00 0.00 C ATOM 532 NE2 HIS A 39 10.299 -3.000 -7.983 1.00 0.00 N ATOM 533 H HIS A 39 7.315 -4.751 -4.387 1.00 0.00 H ATOM 534 HA HIS A 39 10.032 -5.969 -4.389 1.00 0.00 H ATOM 535 HB2 HIS A 39 9.494 -2.997 -4.009 1.00 0.00 H ATOM 536 HB3 HIS A 39 11.054 -3.776 -3.859 1.00 0.00 H ATOM 537 HD1 HIS A 39 11.398 -5.342 -6.286 1.00 0.00 H ATOM 538 HD2 HIS A 39 9.294 -1.847 -6.512 1.00 0.00 H ATOM 539 HE1 HIS A 39 11.443 -4.641 -8.659 1.00 0.00 H ATOM 540 N GLY A 40 8.186 -4.958 -1.924 1.00 0.00 N ATOM 541 CA GLY A 40 8.009 -5.091 -0.448 1.00 0.00 C ATOM 542 C GLY A 40 7.239 -3.883 0.099 1.00 0.00 C ATOM 543 O GLY A 40 6.049 -3.781 -0.146 1.00 0.00 O ATOM 544 H GLY A 40 7.446 -4.592 -2.438 1.00 0.00 H ATOM 545 HA2 GLY A 40 7.443 -5.968 -0.239 1.00 0.00 H ATOM 546 HA3 GLY A 40 8.970 -5.199 0.018 1.00 0.00 H ATOM 547 N PRO A 41 7.906 -2.998 0.806 1.00 0.00 N ATOM 548 CA PRO A 41 9.338 -3.123 1.213 1.00 0.00 C ATOM 549 C PRO A 41 9.690 -4.164 2.303 1.00 0.00 C ATOM 550 O PRO A 41 8.885 -4.946 2.762 1.00 0.00 O ATOM 551 CB PRO A 41 9.710 -1.678 1.613 1.00 0.00 C ATOM 552 CG PRO A 41 8.389 -1.153 2.231 1.00 0.00 C ATOM 553 CD PRO A 41 7.300 -1.721 1.285 1.00 0.00 C ATOM 554 HA PRO A 41 9.861 -3.435 0.324 1.00 0.00 H ATOM 555 HB2 PRO A 41 10.510 -1.637 2.337 1.00 0.00 H ATOM 556 HB3 PRO A 41 9.978 -1.094 0.745 1.00 0.00 H ATOM 557 HG2 PRO A 41 8.246 -1.521 3.239 1.00 0.00 H ATOM 558 HG3 PRO A 41 8.363 -0.072 2.235 1.00 0.00 H ATOM 559 HD2 PRO A 41 6.381 -1.930 1.807 1.00 0.00 H ATOM 560 HD3 PRO A 41 7.102 -1.071 0.444 1.00 0.00 H ATOM 561 N THR A 42 10.935 -4.133 2.700 1.00 0.00 N ATOM 562 CA THR A 42 11.438 -5.078 3.748 1.00 0.00 C ATOM 563 C THR A 42 11.176 -4.534 5.165 1.00 0.00 C ATOM 564 O THR A 42 11.806 -4.964 6.114 1.00 0.00 O ATOM 565 CB THR A 42 12.971 -5.306 3.459 1.00 0.00 C ATOM 566 OG1 THR A 42 13.483 -6.176 4.460 1.00 0.00 O ATOM 567 CG2 THR A 42 13.816 -4.028 3.637 1.00 0.00 C ATOM 568 H THR A 42 11.547 -3.481 2.306 1.00 0.00 H ATOM 569 HA THR A 42 10.911 -6.019 3.645 1.00 0.00 H ATOM 570 HB THR A 42 13.137 -5.755 2.489 1.00 0.00 H ATOM 571 HG1 THR A 42 12.987 -6.060 5.284 1.00 0.00 H ATOM 572 HG21 THR A 42 13.747 -3.661 4.651 1.00 0.00 H ATOM 573 HG22 THR A 42 14.853 -4.257 3.431 1.00 0.00 H ATOM 574 HG23 THR A 42 13.501 -3.250 2.960 1.00 0.00 H ATOM 575 N ILE A 43 10.263 -3.607 5.265 1.00 0.00 N ATOM 576 CA ILE A 43 9.908 -2.991 6.591 1.00 0.00 C ATOM 577 C ILE A 43 8.383 -2.801 6.683 1.00 0.00 C ATOM 578 O ILE A 43 7.876 -1.974 7.416 1.00 0.00 O ATOM 579 CB ILE A 43 10.640 -1.615 6.727 1.00 0.00 C ATOM 580 CG1 ILE A 43 10.443 -0.776 5.425 1.00 0.00 C ATOM 581 CG2 ILE A 43 12.145 -1.863 6.999 1.00 0.00 C ATOM 582 CD1 ILE A 43 11.007 0.649 5.603 1.00 0.00 C ATOM 583 H ILE A 43 9.803 -3.313 4.449 1.00 0.00 H ATOM 584 HA ILE A 43 10.208 -3.660 7.385 1.00 0.00 H ATOM 585 HB ILE A 43 10.210 -1.079 7.564 1.00 0.00 H ATOM 586 HG12 ILE A 43 10.952 -1.251 4.598 1.00 0.00 H ATOM 587 HG13 ILE A 43 9.391 -0.704 5.192 1.00 0.00 H ATOM 588 HG21 ILE A 43 12.266 -2.445 7.903 1.00 0.00 H ATOM 589 HG22 ILE A 43 12.597 -2.407 6.184 1.00 0.00 H ATOM 590 HG23 ILE A 43 12.674 -0.932 7.130 1.00 0.00 H ATOM 591 HD11 ILE A 43 10.492 1.149 6.412 1.00 0.00 H ATOM 592 HD12 ILE A 43 12.065 0.631 5.816 1.00 0.00 H ATOM 593 HD13 ILE A 43 10.849 1.217 4.698 1.00 0.00 H ATOM 594 N GLY A 44 7.711 -3.603 5.909 1.00 0.00 N ATOM 595 CA GLY A 44 6.218 -3.596 5.827 1.00 0.00 C ATOM 596 C GLY A 44 5.952 -3.626 4.325 1.00 0.00 C ATOM 597 O GLY A 44 6.879 -3.404 3.572 1.00 0.00 O ATOM 598 H GLY A 44 8.190 -4.243 5.342 1.00 0.00 H ATOM 599 HA2 GLY A 44 5.814 -4.479 6.300 1.00 0.00 H ATOM 600 HA3 GLY A 44 5.818 -2.693 6.265 1.00 0.00 H ATOM 601 N TRP A 45 4.752 -3.881 3.888 1.00 0.00 N ATOM 602 CA TRP A 45 4.522 -3.911 2.412 1.00 0.00 C ATOM 603 C TRP A 45 3.750 -2.670 1.952 1.00 0.00 C ATOM 604 O TRP A 45 3.075 -2.041 2.739 1.00 0.00 O ATOM 605 CB TRP A 45 3.701 -5.094 2.005 1.00 0.00 C ATOM 606 CG TRP A 45 4.185 -6.476 2.504 1.00 0.00 C ATOM 607 CD1 TRP A 45 4.309 -6.885 3.805 1.00 0.00 C ATOM 608 CD2 TRP A 45 4.507 -7.507 1.691 1.00 0.00 C ATOM 609 NE1 TRP A 45 4.695 -8.145 3.687 1.00 0.00 N ATOM 610 CE2 TRP A 45 4.843 -8.614 2.460 1.00 0.00 C ATOM 611 CE3 TRP A 45 4.537 -7.597 0.297 1.00 0.00 C ATOM 612 CZ2 TRP A 45 5.207 -9.811 1.852 1.00 0.00 C ATOM 613 CZ3 TRP A 45 4.902 -8.792 -0.316 1.00 0.00 C ATOM 614 CH2 TRP A 45 5.238 -9.902 0.461 1.00 0.00 C ATOM 615 H TRP A 45 4.007 -4.040 4.501 1.00 0.00 H ATOM 616 HA TRP A 45 5.471 -3.952 1.916 1.00 0.00 H ATOM 617 HB2 TRP A 45 2.712 -4.901 2.380 1.00 0.00 H ATOM 618 HB3 TRP A 45 3.649 -5.117 0.927 1.00 0.00 H ATOM 619 HD1 TRP A 45 4.133 -6.322 4.709 1.00 0.00 H ATOM 620 HE1 TRP A 45 4.863 -8.722 4.465 1.00 0.00 H ATOM 621 HE3 TRP A 45 4.278 -6.741 -0.310 1.00 0.00 H ATOM 622 HZ2 TRP A 45 5.454 -10.669 2.458 1.00 0.00 H ATOM 623 HZ3 TRP A 45 4.922 -8.861 -1.394 1.00 0.00 H ATOM 624 HH2 TRP A 45 5.522 -10.830 -0.014 1.00 0.00 H ATOM 625 N CYS A 46 3.862 -2.373 0.684 1.00 0.00 N ATOM 626 CA CYS A 46 3.181 -1.197 0.071 1.00 0.00 C ATOM 627 C CYS A 46 2.168 -1.687 -0.970 1.00 0.00 C ATOM 628 O CYS A 46 2.497 -2.462 -1.845 1.00 0.00 O ATOM 629 CB CYS A 46 4.280 -0.320 -0.547 1.00 0.00 C ATOM 630 SG CYS A 46 5.035 0.960 0.483 1.00 0.00 S ATOM 631 H CYS A 46 4.408 -2.939 0.093 1.00 0.00 H ATOM 632 HA CYS A 46 2.653 -0.646 0.834 1.00 0.00 H ATOM 633 HB2 CYS A 46 5.069 -0.968 -0.890 1.00 0.00 H ATOM 634 HB3 CYS A 46 3.907 0.174 -1.425 1.00 0.00 H ATOM 635 N CYS A 47 0.951 -1.240 -0.836 1.00 0.00 N ATOM 636 CA CYS A 47 -0.125 -1.644 -1.789 1.00 0.00 C ATOM 637 C CYS A 47 -1.202 -0.568 -1.916 1.00 0.00 C ATOM 638 O CYS A 47 -0.999 0.572 -1.537 1.00 0.00 O ATOM 639 CB CYS A 47 -0.725 -2.942 -1.282 1.00 0.00 C ATOM 640 SG CYS A 47 -1.791 -3.821 -2.437 1.00 0.00 S ATOM 641 H CYS A 47 0.726 -0.631 -0.103 1.00 0.00 H ATOM 642 HA CYS A 47 0.299 -1.789 -2.771 1.00 0.00 H ATOM 643 HB2 CYS A 47 0.079 -3.610 -1.013 1.00 0.00 H ATOM 644 HB3 CYS A 47 -1.304 -2.734 -0.395 1.00 0.00 H ATOM 645 N LYS A 48 -2.325 -0.972 -2.458 1.00 0.00 N ATOM 646 CA LYS A 48 -3.462 -0.022 -2.630 1.00 0.00 C ATOM 647 C LYS A 48 -4.663 -0.958 -2.547 1.00 0.00 C ATOM 648 O LYS A 48 -4.504 -2.161 -2.669 1.00 0.00 O ATOM 649 CB LYS A 48 -3.362 0.712 -4.020 1.00 0.00 C ATOM 650 CG LYS A 48 -4.336 1.946 -3.978 1.00 0.00 C ATOM 651 CD LYS A 48 -4.151 2.958 -5.163 1.00 0.00 C ATOM 652 CE LYS A 48 -2.739 3.618 -5.159 1.00 0.00 C ATOM 653 NZ LYS A 48 -2.719 4.823 -6.037 1.00 0.00 N ATOM 654 H LYS A 48 -2.460 -1.923 -2.753 1.00 0.00 H ATOM 655 HA LYS A 48 -3.501 0.657 -1.783 1.00 0.00 H ATOM 656 HB2 LYS A 48 -2.340 1.020 -4.191 1.00 0.00 H ATOM 657 HB3 LYS A 48 -3.660 0.037 -4.812 1.00 0.00 H ATOM 658 HG2 LYS A 48 -5.354 1.579 -4.016 1.00 0.00 H ATOM 659 HG3 LYS A 48 -4.208 2.481 -3.048 1.00 0.00 H ATOM 660 HD2 LYS A 48 -4.302 2.430 -6.094 1.00 0.00 H ATOM 661 HD3 LYS A 48 -4.908 3.726 -5.082 1.00 0.00 H ATOM 662 HE2 LYS A 48 -2.452 3.914 -4.161 1.00 0.00 H ATOM 663 HE3 LYS A 48 -2.007 2.917 -5.532 1.00 0.00 H ATOM 664 HZ1 LYS A 48 -3.634 5.027 -6.475 1.00 0.00 H ATOM 665 HZ2 LYS A 48 -2.387 5.650 -5.495 1.00 0.00 H ATOM 666 HZ3 LYS A 48 -1.981 4.722 -6.782 1.00 0.00 H ATOM 667 N GLN A 49 -5.813 -0.391 -2.328 1.00 0.00 N ATOM 668 CA GLN A 49 -7.044 -1.154 -2.217 1.00 0.00 C ATOM 669 C GLN A 49 -7.476 -1.843 -3.535 1.00 0.00 C ATOM 670 O GLN A 49 -8.420 -2.620 -3.475 1.00 0.00 O ATOM 671 CB GLN A 49 -8.051 -0.125 -1.691 1.00 0.00 C ATOM 672 CG GLN A 49 -8.832 -0.869 -0.692 1.00 0.00 C ATOM 673 CD GLN A 49 -9.967 -0.048 -0.089 1.00 0.00 C ATOM 674 OE1 GLN A 49 -9.963 1.167 -0.089 1.00 0.00 O ATOM 675 NE2 GLN A 49 -10.972 -0.667 0.445 1.00 0.00 N ATOM 676 OXT GLN A 49 -6.832 -1.547 -4.529 1.00 0.00 O ATOM 677 H GLN A 49 -5.958 0.556 -2.212 1.00 0.00 H ATOM 678 HA GLN A 49 -6.846 -1.918 -1.488 1.00 0.00 H ATOM 679 HB2 GLN A 49 -7.597 0.735 -1.219 1.00 0.00 H ATOM 680 HB3 GLN A 49 -8.695 0.209 -2.492 1.00 0.00 H ATOM 681 HG2 GLN A 49 -9.175 -1.723 -1.230 1.00 0.00 H ATOM 682 HG3 GLN A 49 -8.155 -1.167 0.093 1.00 0.00 H ATOM 683 HE21 GLN A 49 -11.000 -1.646 0.441 1.00 0.00 H ATOM 684 HE22 GLN A 49 -11.689 -0.144 0.845 1.00 0.00 H